CHEBI:79304 - glas#20

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glas#20
ChEBI ID CHEBI:79304
Definition An ascarosyloxycarboxylic acid β-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of β-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000219962127
Download Molfile XML SDF
Formula C24H44O11
Net Charge 0
Average Mass 508.59960
Monoisotopic Mass 508.28836
InChI InChI=1S/C24H44O11/c1-14(32-23-17(27)12-16(26)15(2)33-23)10-8-6-4-3-5-7-9-11-19(28)35-24-22(31)21(30)20(29)18(13-25)34-24/h14-18,20-27,29-31H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,20-,21+,22-,23-,24+/m1/s1
InChIKey VJWJXLJAPFOFKF-QENFJQAJSA-N
SMILES C[C@H](CCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in acox-1(ok2257) mutant worms. See: PubMed
Roles Classification
Biological Role(s): Caenorhabditis elegans metabolite
A nematode metabolite produced by Caenorhabditis elegans.
semiochemical
A molecular messenger released by an organism that affects the behaviour within or between species.
(via hydroxy fatty acid ascaroside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glas#20 (CHEBI:79304) has functional parent ascr#20 (CHEBI:78958)
glas#20 (CHEBI:79304) has role Caenorhabditis elegans metabolite (CHEBI:78804)
glas#20 (CHEBI:79304) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205)
glas#20 (CHEBI:79304) is a ascarosyloxycarboxylic acid β-D-glucopyranosyl ester (CHEBI:79198)
IUPAC Name
1-O-{(11R)-11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dodecanoyl}-β-D-glucopyranose
Synonym Source
β-D-glucos-1''-yl-11R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-dodecanoate SMID
Manual Xref Database
glas%2320 SMID
View more database links
Registry Numbers Types Sources
1355683-59-8 CAS Registry Number SMID
22233525 Reaxys Registry Number Reaxys
Citation Waiting for Citations
Last Modified
25 July 2014